Compound Detail
CHEMBL4211789
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Basic Information
| ChEMBL ID | CHEMBL4211789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRSYYRYKHDMABU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.59
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen-related receptor gamma CHEMBL4245 | EC50 | 6.02 | 6.02 | 950.0 | 1 |
| Steroid hormone receptor ERR2 CHEMBL3751 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen-related receptor gamma | EC50 | = | 950.0 | nM | 6.02 | Agonist activity at human N-terminal alphaHis-SUMO-tagged ERRgamma-LBD (229 to 4... | 29548571 |
| Steroid hormone receptor ERR2 | EC50 | = | 2700.0 | nM | 5.57 | Agonist activity at alphaHis-SUMO-tagged ERRbeta-LBD (unknown origin) assessed a... | 29548571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Estrogen-related receptor gamma | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Steroid hormone receptor ERR1 | 1 |
| 29548571 | 10.1016/j.bmcl.2018.03.019 | Steroid hormone receptor ERR2 | 1 |
Data from ChEMBL 36 via Core Engine